Molecule

ID:128110

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-12-8-4-7(2-3-11)5-9-10(8)14-6-13-9/h4-5H,2-3,6,11H2,1H3
InChIKey
ORXQUAPZHKCCAX-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OC)c2c(c1)OCO2
Isomeric Smiles
O1c2cc(cc(OC)c2OC1)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1552176
LogD (pH = 7.4)
-1.4300221
Log P
0.8532377
Molar Refractivity
51.5165
Polarizability
20.45244
Polar Surface Area
53.71
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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